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MIMUMBA Revisited: Torsion Angle Rules for Conformer Generation Derived from X-ray Structures
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What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
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Chemoinformatics in Drug Discovery
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Structure Modification in Chemical Databases
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Improved protein–ligand docking using GOLD
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A Fast Flexible Docking Method using an Incremental Construction Algorithm
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Automated chemical hypothesis generation and database searching with Catalyst®
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Automatic generation of 3D-atomic coordinates for organic molecules
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The protein data bank: A computer-based archival file for macromolecular structures
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Computer-assisted lead finding and optimization, current tools for medicinal chemistry
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The development of versions 3 and 4 of the Cambridge Structural Database System
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Chemical Abstracts Service Chemical Registry System. 13. Enhanced handling of stereochemistry
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Methodological developments and strategies for a fast flexible superposition of drug-size molecules
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Reproducing the conformations of protein-bound ligands: A critical evaluation of several popular conformational searching tools
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New software for searching the Cambridge Structural Database and visualizing crystal structures
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
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Exploiting Ligand Conformations in Drug Design
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MIMUMBA Revisited: Torsion Angle Rules for Conformer Generation Derived from X‐Ray Structures.
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Fragment Screening of Soluble Epoxide Hydrolase for Lead Generation—Structure‐Based Hit Evaluation and Chemistry Exploration
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Short Nonbonded Contact Distances in Organic Molecules and Their Use as Atom-Clash Criteria in Conformer Validation and Searching
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CAESAR: A New Conformer Generation Algorithm Based on Recursive Buildup and Local Rotational Symmetry Consideration
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Torsion Angle Preference and Energetics of Small-Molecule Ligands Bound to Proteins
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Small Molecule Conformational Preferences Derived from Crystal Structure Data. A Medicinal Chemistry Focused Analysis
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Conformational Analysis of Macrocycles: Finding What Common Search Methods Miss
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Systematic conformational bias in small-molecule crystal structures is rare and explicable
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Insight into the mechanism of chemical modification of antibacterial agents by antibiotic resistance enzyme O‐phosphotransferase‐IIIA
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Effects of multiple conformers per compound upon 3-D similarity search and bioassay data analysis
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Leitstrukturoptimierung für Antiprotozoika und Erfolgreiche Leitstruktursuche für Metalloproteinasen: Ein Fragment-basiertes Virtuelles Screening Verfahren
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